ISSN:
1612-1112
Keywords:
Gas chromatography
;
Retention indices
;
Target factor analysis
;
Reproduction, prediction, classification
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Summary Using the method of target factor analysis (TFA) described by Malinowski and Howery a computer program has been developed to study different sets of gas chromatographic retention data. Physico-chemical, topological and uniqueness parameters have been found to be basic factors to describe solute behaviour problems. Factor analytical solutions have been used to reproduce the data matrices and to make predictions based on best sets of basic factors. The mean absolute error in the reproduction step is between 1.72 retention index units (i.u.) for a relatively simple matrix consisting of retention indices of alcohols and 7.36 i.u. for a combined data matrix of alcohol, aldehyde and ketone retention indices. TFA has also been used to classify solutes based on their retention behaviour. Alkanes have been classified from cycloalkanes, alkanes from alkenes, and alcohols from aldehydes and ketones using only their retention data and a special kind of uniqueness vector.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF02276250
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